CID 4368239

4-(anilinosulfonyl)-n-butyl-1-hydroxy-2-naphthamide

Structural Information

Molecular Formula
C21H22N2O4S
SMILES
CCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)S(=O)(=O)NC3=CC=CC=C3)O
InChI
InChI=1S/C21H22N2O4S/c1-2-3-13-22-21(25)18-14-19(16-11-7-8-12-17(16)20(18)24)28(26,27)23-15-9-5-4-6-10-15/h4-12,14,23-24H,2-3,13H2,1H3,(H,22,25)
InChIKey
FWAKIMOWBOTUJM-UHFFFAOYSA-N
Compound name
N-butyl-1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13004 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13732 191.7
[M+Na]+ 421.11926 202.9
[M+NH4]+ 416.16386 197.8
[M+K]+ 437.09320 194.7
[M-H]- 397.12276 195.4
[M+Na-2H]- 419.10471 198.5
[M]+ 398.12949 194.7
[M]- 398.13059 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.